[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CO3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)[C@H](C(C)C)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H24N2O7/c1-12(2)18(23-20(25)16-5-4-8-27-16)21(26)30-13(3)19(24)22-10-14-6-7-15-17(9-14)29-11-28-15/h4-9,12-13,18H,10-11H2,1-3H3,(H,22,24)(H,23,25)/t13-,18+/m1/s1